Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50243546'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50243546 (CHEMBL4072418) Show SMILES CN(C)[C@H]1CCCC[C@H]1NC(=O)c1nc(-c2ccc(Cl)cc2Cl)n(c1C)-c1ccc(OS(=O)(=O)CCC(F)(F)F)cc1 |r| Show InChI InChI=1S/C28H31Cl2F3N4O4S/c1-17-25(27(38)34-23-6-4-5-7-24(23)36(2)3)35-26(21-13-8-18(29)16-22(21)30)37(17)19-9-11-20(12-10-19)41-42(39,40)15-14-28(31,32)33/h8-13,16,23-24H,4-7,14-15H2,1-3H3,(H,34,38)/t23-,24+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in beta-galactosidase expressing CHOK1 cell membranes after 60 mins by scin...				J Med Chem 60: 9545-9564 (2017) Article DOI: 10.1021/acs.jmedchem.7b00861 BindingDB Entry DOI: 10.7270/Q2X92DQ7
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50243546 (CHEMBL4072418) Show SMILES CN(C)[C@H]1CCCC[C@H]1NC(=O)c1nc(-c2ccc(Cl)cc2Cl)n(c1C)-c1ccc(OS(=O)(=O)CCC(F)(F)F)cc1 |r| Show InChI InChI=1S/C28H31Cl2F3N4O4S/c1-17-25(27(38)34-23-6-4-5-7-24(23)36(2)3)35-26(21-13-8-18(29)16-22(21)30)37(17)19-9-11-20(12-10-19)41-42(39,40)15-14-28(31,32)33/h8-13,16,23-24H,4-7,14-15H2,1-3H3,(H,34,38)/t23-,24+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in beta-galactosidase expressing CHOK1 cell membranes after 60 mins by scin...				J Med Chem 60: 9545-9564 (2017) Article DOI: 10.1021/acs.jmedchem.7b00861 BindingDB Entry DOI: 10.7270/Q2X92DQ7
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50243546 (CHEMBL4072418) Show SMILES CN(C)[C@H]1CCCC[C@H]1NC(=O)c1nc(-c2ccc(Cl)cc2Cl)n(c1C)-c1ccc(OS(=O)(=O)CCC(F)(F)F)cc1 |r| Show InChI InChI=1S/C28H31Cl2F3N4O4S/c1-17-25(27(38)34-23-6-4-5-7-24(23)36(2)3)35-26(21-13-8-18(29)16-22(21)30)37(17)19-9-11-20(12-10-19)41-42(39,40)15-14-28(31,32)33/h8-13,16,23-24H,4-7,14-15H2,1-3H3,(H,34,38)/t23-,24+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Antagonist activity at recombinant human CB1 receptor expressed in HEK293 cell membranes assessed as inhibition of CP55940-induced [35S]GTPgammaS bin...				J Med Chem 60: 9545-9564 (2017) Article DOI: 10.1021/acs.jmedchem.7b00861 BindingDB Entry DOI: 10.7270/Q2X92DQ7
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50243546 (CHEMBL4072418) Show SMILES CN(C)[C@H]1CCCC[C@H]1NC(=O)c1nc(-c2ccc(Cl)cc2Cl)n(c1C)-c1ccc(OS(=O)(=O)CCC(F)(F)F)cc1 |r| Show InChI InChI=1S/C28H31Cl2F3N4O4S/c1-17-25(27(38)34-23-6-4-5-7-24(23)36(2)3)35-26(21-13-8-18(29)16-22(21)30)37(17)19-9-11-20(12-10-19)41-42(39,40)15-14-28(31,32)33/h8-13,16,23-24H,4-7,14-15H2,1-3H3,(H,34,38)/t23-,24+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
Leiden University Curated by ChEMBL					Assay Description Antagonist activity at recombinant human CB1 receptor expressed in HEK293 cell membranes assessed as inhibition of CP55940-induced [35S]GTPgammaS bin...				J Med Chem 60: 9545-9564 (2017) Article DOI: 10.1021/acs.jmedchem.7b00861 BindingDB Entry DOI: 10.7270/Q2X92DQ7
					More data for this Ligand-Target Pair